Topological Control on the Structural Relaxation of Atomic Networks under Stress
Upon loading, atomic networks can feature delayed irreversible relaxation. However, the effect of composition and structure on relaxation remains poorly understood. Herein, relying on accelerated molecular dynamics simulations and topological constraint theory, we investigate the relationship betwee...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
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American Physical Society
2017
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| Online Access: | http://hdl.handle.net/1721.1/110821 https://orcid.org/0000-0002-7089-8069 https://orcid.org/0000-0001-5559-4190 |
| _version_ | 1826205536698236928 |
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| author | Bauchy, Mathieu Wang, Mengyi Yu, Yingtian Wang, Bu Krishnan, N. M. Anoop Masoero, Enrico Ulm, Franz-Josef Pellenq, Roland Jm |
| author2 | Massachusetts Institute of Technology. Department of Civil and Environmental Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Civil and Environmental Engineering Bauchy, Mathieu Wang, Mengyi Yu, Yingtian Wang, Bu Krishnan, N. M. Anoop Masoero, Enrico Ulm, Franz-Josef Pellenq, Roland Jm |
| author_sort | Bauchy, Mathieu |
| collection | MIT |
| description | Upon loading, atomic networks can feature delayed irreversible relaxation. However, the effect of composition and structure on relaxation remains poorly understood. Herein, relying on accelerated molecular dynamics simulations and topological constraint theory, we investigate the relationship between atomic topology and stress-induced structural relaxation, by taking the example of creep deformations in calcium silicate hydrates (C─S─H), the binding phase of concrete. Under constant shear stress, C─S─H is found to feature delayed logarithmic shear deformations. We demonstrate that the propensity for relaxation is minimum for isostatic atomic networks, which are characterized by the simultaneous absence of floppy internal modes of relaxation and eigenstress. This suggests that topological nanoengineering could lead to the discovery of nonaging materials. |
| first_indexed | 2024-09-23T13:14:43Z |
| format | Article |
| id | mit-1721.1/110821 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T13:14:43Z |
| publishDate | 2017 |
| publisher | American Physical Society |
| record_format | dspace |
| spelling | mit-1721.1/1108212022-10-01T13:59:20Z Topological Control on the Structural Relaxation of Atomic Networks under Stress Bauchy, Mathieu Wang, Mengyi Yu, Yingtian Wang, Bu Krishnan, N. M. Anoop Masoero, Enrico Ulm, Franz-Josef Pellenq, Roland Jm Massachusetts Institute of Technology. Department of Civil and Environmental Engineering MultiScale Materials Science for Energy and Environment, Joint MIT-CNRS Laboratory Ulm, Franz-Josef Pellenq, Roland Jm Upon loading, atomic networks can feature delayed irreversible relaxation. However, the effect of composition and structure on relaxation remains poorly understood. Herein, relying on accelerated molecular dynamics simulations and topological constraint theory, we investigate the relationship between atomic topology and stress-induced structural relaxation, by taking the example of creep deformations in calcium silicate hydrates (C─S─H), the binding phase of concrete. Under constant shear stress, C─S─H is found to feature delayed logarithmic shear deformations. We demonstrate that the propensity for relaxation is minimum for isostatic atomic networks, which are characterized by the simultaneous absence of floppy internal modes of relaxation and eigenstress. This suggests that topological nanoengineering could lead to the discovery of nonaging materials. National Science Foundation (U.S.) (Grant 1562066) Schlumberger-Doll Research Center Massachusetts Institute of Technology. Concrete Sustainability Hub Massachusetts Institute of Technology. Interdisciplinary Center on MultiScale Material Science for Energy and Environment (Grant ANR-11-LABX-0053) Massachusetts Institute of Technology. Interdisciplinary Center on MultiScale Material Science for Energy and Environment (Grant ANR-11-IDEX-0001- 02) 2017-07-24T14:00:03Z 2017-07-24T14:00:03Z 2017-07 2017-01 2017-07-21T22:00:01Z Article http://purl.org/eprint/type/JournalArticle 0031-9007 1079-7114 http://hdl.handle.net/1721.1/110821 Bauchy, Mathieu et al. “Topological Control on the Structural Relaxation of Atomic Networks under Stress.” Physical Review Letters 119.3 (2017): n. pag. https://orcid.org/0000-0002-7089-8069 https://orcid.org/0000-0001-5559-4190 en http://dx.doi.org/10.1103/PhysRevLett.119.035502 Physical Review Letters Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. American Physical Society application/pdf American Physical Society American Physical Society |
| spellingShingle | Bauchy, Mathieu Wang, Mengyi Yu, Yingtian Wang, Bu Krishnan, N. M. Anoop Masoero, Enrico Ulm, Franz-Josef Pellenq, Roland Jm Topological Control on the Structural Relaxation of Atomic Networks under Stress |
| title | Topological Control on the Structural Relaxation of Atomic Networks under Stress |
| title_full | Topological Control on the Structural Relaxation of Atomic Networks under Stress |
| title_fullStr | Topological Control on the Structural Relaxation of Atomic Networks under Stress |
| title_full_unstemmed | Topological Control on the Structural Relaxation of Atomic Networks under Stress |
| title_short | Topological Control on the Structural Relaxation of Atomic Networks under Stress |
| title_sort | topological control on the structural relaxation of atomic networks under stress |
| url | http://hdl.handle.net/1721.1/110821 https://orcid.org/0000-0002-7089-8069 https://orcid.org/0000-0001-5559-4190 |
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